((3aR,4R,6R,6aS)-2,2-Dimethyl-6-{6-[(S)-1-(5-trifluoromethyl-pyridin-2-yl)-pyrrolidin-3-ylamino]-purin-9-yl}-tetrahydro-cyclopenta[1,3]dioxol-4-yl)-methanol | 670253-98-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: ((3aR,4R,6R,6aS)-2,2-Dimethyl-6-{6-[(S)-1-(5-trifluoromethyl-pyridin-2-yl)-pyrrolidin-3-ylamino]-purin-9-yl}-tetrahydro-cyclopenta[1,3]dioxol-4-yl)-methanol
• CAS: 670253-98-2
• 化学式: C₂₄H₂₈F₃N₇O₃
• 分子量: 519.527
• InChiKey: DCYJPDZYFCRBHE-QTAXSFQDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.0
• 重原子数：
  37.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  110.45
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  ((3aR,4R,6R,6aS)-2,2-Dimethyl-6-{6-[(S)-1-(5-trifluoromethyl-pyridin-2-yl)-pyrrolidin-3-ylamino]-purin-9-yl}-tetrahydro-cyclopenta[1,3]dioxol-4-yl)-methanol 在 potassium tert-butylate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 7.5h， 生成 (1S,2R,3R,5R)-3-(methoxymethyl)-5-[6-[[(3S)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]amino]purin-9-yl]cyclopentane-1,2-diol
  参考文献：
  名称：

  The sequel to a carbocyclic nucleoside synthesis: a divergent access to both arenediazonium ions and aryl triflates

  摘要：

  Depending on the amount of acid used, treating aryl-dialkyl triazenes of general structure 3 with triflic acid resulted in the formation of either the corresponding arenediazonium triflates 4 or aryl triflates 8 apparently by two different pathways, the latter conversion being favoured at high acid concentration. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.01.147
• 作为产物：
  描述：

  9-<(1R,2S,3R)-4-t-butyldimethylsiloxymethyl-2,3-isopropylidenedioxycyclopentan-1-yl>adenine 在 四丁基氟化铵 、 碘 、 N,N-二异丙基乙胺 、 potassium iodide 、 亚硝酸异戊酯 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 36.5h， 生成 ((3aR,4R,6R,6aS)-2,2-Dimethyl-6-{6-[(S)-1-(5-trifluoromethyl-pyridin-2-yl)-pyrrolidin-3-ylamino]-purin-9-yl}-tetrahydro-cyclopenta[1,3]dioxol-4-yl)-methanol
  参考文献：
  名称：

  The sequel to a carbocyclic nucleoside synthesis: a divergent access to both arenediazonium ions and aryl triflates

  摘要：

  Depending on the amount of acid used, treating aryl-dialkyl triazenes of general structure 3 with triflic acid resulted in the formation of either the corresponding arenediazonium triflates 4 or aryl triflates 8 apparently by two different pathways, the latter conversion being favoured at high acid concentration. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.01.147